SCHEMBL6206428

SCHEMBL6206428

CC(=O)NCC(=O)CC(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
NAPRT Q6XQN6 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
POLB P06746 2/20 0.49
KDM1A O60341 1/20 0.49
GAA P10253 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6018459 0.87 NAPRT (0.61) MAPTNAPRTHSD17B10HDAC3HDAC4
SCHEMBL27538195 0.81 EPHX2 (0.63) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL7745292 0.80 MAPT (0.71) MAPTNAPRTHSD17B10HDAC3HDAC4
SCHEMBL5804865 0.78 MAPT (0.65) MAPTNAPRTHSD17B10HDAC3HDAC4
SCHEMBL14914 0.77 MAPT (0.85) MAPTNAPRTHSD17B10POLBKDM1A
SCHEMBL9121361 0.77 MAPT (0.85) MAPTNAPRTHSD17B10POLBKDM1A
SCHEMBL3021545 0.77 MAPT (0.67) MAPTNAPRTHSD17B10HDAC3HDAC4
SCHEMBL9222067 0.77 SMN1; SMN2 (0.59) MAPTNAPRTHSD17B10HDAC3HDAC4
SCHEMBL1689206 0.77 EPHX2 (0.68) MAPTHDAC3HDAC4HDAC1HDAC2
Acetanilide SCHEMBL9260422 0.77 MAPT (0.77) MAPTNAPRTHSD17B10POLBKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4780533-A REACTION PRODUCT OF TETRAZO COMPOUND OF 3,3'-DICHLOROBENZIDINE AND ACETOANILIDE DERIVATIVE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1988-10-25 US claimed
EP-1047672-B1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES CIBA SC HOLDING AG (CH) 2005-06-22 EP disclosed
EP-1047672-A1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES Ciba SC Holding AG (CH) 2000-11-02 EP disclosed
US-6087480-A Process for preparing sparingly soluble aromatic amines CIBA SPECIALTY CHEMCALS CORPORATION (US) 2000-07-11 US disclosed
WO-1999036402-A1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-07-22 WO disclosed
US-4780533-A REACTION PRODUCT OF TETRAZO COMPOUND OF 3,3'-DICHLOROBENZIDINE AND ACETOANILIDE DERIVATIVE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1988-10-25 US disclosed